(1,2,4-TRIAZOL-4-YL) ITRACONAZOLE

Details

Stereochemistry	MIXED
Molecular Formula	C35H38Cl2N8O4
Molecular Weight	705.633
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1,2,4-TRIAZOL-4-YL) ITRACONAZOLE

Structure Search

SMILES

CCC(C)N1N=CN(C1=O)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(OC[C@@H]5CO[C@](CN6C=NN=C6)(O5)C7=CC=C(Cl)C=C7Cl)C=C4

InChI

InChIKey=VRJGLVXBWFZNCZ-AVQIMAJZSA-N

InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)42-14-16-43(17-15-42)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-41-22-38-39-23-41)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H38Cl2N8O4
Molecular Weight	705.633
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:56:47 GMT 2025` Edited by `admin` on `Mon Mar 31 20:56:47 GMT 2025`
Record UNII	ZQ7AHN9PCK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(±)-(1,2,4-TRIAZOL-4-YL) ITRACONAZOLE

Preferred Name

English

(1,2,4-TRIAZOL-4-YL) ITRACONAZOLE

Common Name

English

4-(4-(4-(4-((CIS-2-(2,4-DICHLOROPHENYL)-2-(4H-1,2,4-TRIAZOL-4-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZIN-1-YL)PHENYL)-2-((1RS)-1-METHYLPROPYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE

Common Name

English

4-(4-(4-(4-(((2RS,4SR)-2-((4H-1,2,4-TRIAZOL-4-YL)METHYL)-2-(2,4-DICHLOROPHENYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZIN-1-YL)PHENYL)-2-SEC-BUTYL-2H-1,2,4-TRIAZOL-3(4H)-ONE

Systematic Name

English

ITRACONAZOLE IMPURITY B [EP IMPURITY]

Common Name

English

ITRACONAZOLE IMPURITY, 4-TRIAZOLYL ISOMER- [USP IMPURITY]

Common Name

English

3H-1,2,4-TRIAZOL-3-ONE, 4-(4-(4-(4-(((2R,4S)-2-(2,4-DICHLOROPHENYL)-2-(4H-1,2,4-TRIAZOL-4-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)-1-PIPERAZINYL)PHENYL)-2,4-DIHYDRO-2-(1-METHYLPROPYL)-, REL-

Common Name

English

Code System Code Type Description

FDA UNII

ZQ7AHN9PCK

Created by admin on Mon Mar 31 20:56:47 GMT 2025 , Edited by admin on Mon Mar 31 20:56:47 GMT 2025

PRIMARY

CAS

854372-77-3

Created by admin on Mon Mar 31 20:56:47 GMT 2025 , Edited by admin on Mon Mar 31 20:56:47 GMT 2025

PRIMARY

PUBCHEM

72941921

Created by admin on Mon Mar 31 20:56:47 GMT 2025 , Edited by admin on Mon Mar 31 20:56:47 GMT 2025

PRIMARY

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ITRACONAZOLE

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